4,5-Dimethyl-1,3,2-dioxathiolane 2-oxide

Base Information

• Chemical Name: 4,5-Dimethyl-1,3,2-dioxathiolane 2-oxide
• CAS No.: 4440-90-8
• Molecular Formula: C4H8O3S
• Molecular Weight: 136.172
• Hs Code.: 29349990
• European Community (EC) Number: 224-661-1
• NSC Number: 527769,56552
• DSSTox Substance ID: DTXSID70963214
• Nikkaji Number: J113.888J
• Mol file: 4440-90-8.mol

Synonyms:4,5-Dimethyl-1,3,2-dioxathiolane 2-oxide;4440-90-8;sym-Dimethylethylene sulfite;2,3-Butanediol, cyclic sulfite;EINECS 224-661-1;1,3,2-Dioxathiolane, 4,5-dimethyl-, 2-oxide;2, cyclic sulfite;erythro-2,3-butanediyl sulfite;SCHEMBL4889631;DTXSID70963214;NSC56552;NSC 56552;NSC-56552;NSC527769;NSC-527769;AS-64821;4,5-dimethyl-2-oxo-1,3,2-dioxathiolane;4,5-Dimethyl-1,3,2-dioxathiolane2-oxide;FT-0765961;1,2-Dioxathiolane, 4,5-dimethyl-, 2-oxide;4,5-dimethyl-1,3,2|E?-dioxathiolan-2-one;4,5-Dimethyl-1,3,2-dioxathiolane 2-oxide #;E85528;4,5-Dimethyl-1,3,2lambda~4~-dioxathiolan-2-one;4,5-DIMETHYL-1,3,2??-DIOXATHIOLAN-2-ONE

Chemical Property of 4,5-Dimethyl-1,3,2-dioxathiolane 2-oxide

Chemical Property:

• Vapor Pressure: 1.48mmHg at 25°C
• Refractive Index: 1.524
• Boiling Point: 176.3 °C at 760 mmHg
• Flash Point: 60.4 °C
• PSA: 54.74000
• Density: 1.35 g/cm³
• LogP: 1.25460
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 136.01941529
• Heavy Atom Count: 8
• Complexity: 102

Purity/Quality:

98% ^*data from raw suppliers

4,5-Dimethyl-2-oxo-1,3.2-dioxathiolane 98% ^*data from reagent suppliers

Safty Information:

• Statements: 20/21/22
• Safety Statements: 3/9-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(OS(=O)O1)C

Technology Process of 4,5-Dimethyl-1,3,2-dioxathiolane 2-oxide

There total 9 articles about 4,5-Dimethyl-1,3,2-dioxathiolane 2-oxide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 91.2%

dimethylsulfite (616-42-2) + 2.3-butanediol (513-85-9) → 4,5-dimethylethylene (trans,trans) sulphite (4440-90-8)

Guidance literature:

2.3-butanediol; With titanium tetra-n-propoxide; at 120 ℃; for 1.5h;

dimethylsulfite; at 64 - 150 ℃;

Reference yield: 59.0%

2,3-trans-epoxybutane (21490-63-1) → 4,5-dimethylethylene (cis,trans) sulphite (4440-90-8,24212-85-9,40811-17-4,40811-18-5,40934-47-2,51260-44-7,51260-47-0)

Guidance literature:

With C₂₅H₂₀AlCl₆NO₄; sulfur dioxide; tetrabutylammomium bromide; In acetonitrile; at 70 ℃; for 16h; chemoselective reaction; Flow reactor;

DOI:10.1002/adsc.201600831

Reference yield:

2.3-butanediol (513-85-9) → 4,5-dimethylethylene (trans,trans) sulphite (4440-90-8)

Guidance literature:

With pyridine; thionyl chloride; benzene;

upstream raw materials:

2.3-butanediol

dimethylsulfite

(2R,3S)-2,3-butanediol

d,l-2,3-butanediol

Downstream raw materials:

buta-1,3-diene

2,3-epoxybutane

butanone

4,5-dimethylethylene (trans,trans) sulphate

Refernces

• 1、 -. "Synthetic method for ethylene sulfite derivative". Paragraph 0028-0031. . Retrieved 2018/06/13.
• 2、 -. "Process for Preparing Optically Active Diphosphanes". Page/Page column 7. . Retrieved 2008/12/07.